Geometry & MOs

Info

ID:	14077
PubChem CID:	403584
Reduced:	BrSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	434.04121
ΔH_f, kcal/mol:	14.13
Dipole, Da:	8.6
IP(EA), eV:	-8.56(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-oxoindol-3-yl)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=NNC2=C3C=C(C=CC3=NC2=O)Br)S1)C4CCCCC4

DOS

IR

Vibrations